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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50068917'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (Human))
BDBM50068917
PNG
(5-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cc(cs1)C(O)=O
Show InChI InChI=1S/C31H36F2N4O10S/c1-30(2,3)47-29(46)35-19(11-12-23(38)39)26(42)37-13-7-10-21(37)25(41)34-20(14-17-8-5-4-6-9-17)24(40)31(32,33)28(45)36-22-15-18(16-48-22)27(43)44/h4-6,8-9,15-16,19-21H,7,10-14H2,1-3H3,(H,34,41)(H,35,46)(H,36,45)(H,38,39)(H,43,44)/t19?,20?,21-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair